III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G
For ()Energy (hartrees) | |
---|---|
frozen core | -534.3193250 |
correlated core | -534.3229527 |
difference | -0.0036277 |
Energy (hartrees) | |
---|---|
frozen core | -534.3193250 |
correlated core | -534.3229527 |
difference | -0.0036277 |
Energy (hartrees) | |
---|---|
frozen core | -534.3193250 |
correlated core | -534.3229527 |
difference | -0.0036277 |